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40 #ifndef INTEGRALS_HERMITE_HEADER
41 #define INTEGRALS_HERMITE_HEADER
48 int n1max,
int noOfMonomials_1,
49 int n2max,
int noOfMonomials_2,
Treal template_blas_pow(Treal x, Treal y)
Treal template_blas_sqrt(Treal x)
ergo_real mu
Definition: integral_info.h:151
Definition of the main floating-point datatype used; the ergo_real type.
double ergo_real
Definition: realtype.h:69
Code for Boys function evaluation.
Treal template_blas_exp(Treal x)
int get_related_integrals_hermite(const IntegralInfo &integralInfo, const JK::ExchWeights ¶msCAM, int n1max, int noOfMonomials_1, int n2max, int noOfMonomials_2, ergo_real dx0, ergo_real dx1, ergo_real dx2, ergo_real alpha0, ergo_real resultPreFactor, ergo_real *primitiveIntegralList)
Definition: integrals_hermite.cc:53
ergo_real alpha
Definition: integral_info.h:149
monomial_info_struct monomial_info
Definition: integral_info.h:105
int no_of_monomials_list[MONOMIAL_N_MAX+1]
Definition: monomial_info.h:61
int get_related_integrals_hermite(const IntegralInfo &integralInfo, const JK::ExchWeights ¶msCAM, int n1max, int noOfMonomials_1, int n2max, int noOfMonomials_2, ergo_real dx0, ergo_real dx1, ergo_real dx2, ergo_real alpha0, ergo_real resultPreFactor, ergo_real *primitiveIntegralList)
Definition: integrals_hermite.cc:53
int iz
Definition: monomial_info.h:54
ergo_real beta
Definition: integral_info.h:150
Contains coefficients needed for quick integral evaluation.
Definition: integral_info.h:94
Defines IntegralInfo object, providing the coefficients needed for integral evaluation.
int iy
Definition: monomial_info.h:53
Code for computation of Coulomb integrals of Hermite Gaussians, using the the McMurchie-Davidson sche...
Definition: integral_info.h:148
int computeRangeSeparatedExchange
shortcut for |beta| != 0
Definition: integral_info.h:152
ergo_real BoysFunction(int n, ergo_real x) const
Definition: integral_info.cc:243
monomial_struct * monomial_list
Definition: monomial_info.h:60
int ix
Definition: monomial_info.h:52